Collections:
Ketcher File Structure
How is the Ketcher file structured?
✍: FYIcenter.com
At a high level, a Ketcher file is structured to represent an object with a required property "root", which has a property "nodes" to hold an array of graphical objects. The hight level structure of a Ketcher file looks like this:
{ "root": { "nodes": [ <object>, <object>, ..., <object> ] } }
Each graphical object has a required property "type" to specify the nature of the object. Here are some examples:
{ "type": "molecule", (A molecule structure) } { "type": "text", (A text label) } { "type": "arrow", (A line ended with an arrow ) } { "type": "plus", (A plus sign) }
If the object is a "molecule", it must to be defined as a referenced-object. and move it the top level. The reason for the exception is probably to make the "nodes" structure short and easier to read. So the Ketcher file structure for a molecule with a text label looks like:
{ "root": { "nodes": [ { "$ref": "mol<seq>" }, { "type": "text", ... } ] }, "mol<seq>": { "type": "molecule", ... } }
Note that the name of the referenced-molecule must use the pattern of "mol<seq>", where <seq> is a sequential number.
⇒ Export Ketcher File from Editor
2024-04-14, 338🔥, 0💬
Popular Posts:
How to perform exact match in fastsearch index file using a "babel" command? If you want to perform ...
Molecule Summary: ID: FYI-1000380 SMILES: Cc1n[nH]c(C)c1c2cn(C)c3c (C(=O)O)cccc23.ClReceived at FYIc...
Molecule Summary: ID: FYI-1000218 SMILES: c2ccc(c1ccccc1)cc2 Received at FYIcenter.com on: 2021-01-0...
Molecule Summary: ID: FYI-1000970 SMILES: O=C1CSC(=S)N1CCN1CCCC1 Received at FYIcenter.com on: 2021-...
Molecule Summary: ID: FYI-1001356 SMILES: CC1([C@@H](N2[C@H](S1)[C @@H](C2=O)NC(=O)[C@@H](C 3=CC=C(C=C...